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Titlebook: Unified Valence Bond Theory of Electronic Structure; Applications Nicolaos Demetrios Epiotis Textbook 1983 Springer-Verlag Berlin Heidelber

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書目名稱Unified Valence Bond Theory of Electronic Structure
副標(biāo)題Applications
編輯Nicolaos Demetrios Epiotis
視頻videohttp://file.papertrans.cn/943/942030/942030.mp4
叢書名稱Lecture Notes in Chemistry
圖書封面Titlebook: Unified Valence Bond Theory of Electronic Structure; Applications Nicolaos Demetrios Epiotis Textbook 1983 Springer-Verlag Berlin Heidelber
描述The bond diagrammatic representation of molecules is the foundation of MOVB theory. To a certain extent, this kind of representation is analogous to the one on which "resonance theory" is based and this fact can be projected by a comparison of the various ways in which MOVB theory depicts a species made up of three core and two ligand MO‘s which define two subsystems containing a total of six electrons and the ways in which "resonance theory" (i. e. , qualitative VB theory) depicts a six-electron-six-AO species such as the pi system of CH =CH-CH=CH-CH=O. The 2 different pictorial representations are shown in Scheme 1 so that the analogies are made evident. First of all, the total MOVB diagrammatic representation of the 6/5 species is obtained by a linear combination of three complete bond diagrams, as in Al, which describe the optimal linear combination of!l! MOVB Configuration Wavefunctions (CW‘s). By the same token, a total VB diagrammatic representation of the 6/6 species can be obtained by writing a "dot structure", as in Bl, and taking this to mean the optimal linear combination of all VB CW‘s. Next, we can approxi- mate the MOVB wavefunction of the 6/5 species by one complete
出版日期Textbook 1983
關(guān)鍵詞Applications; Isomer; Structure; aromatic; classification; electron; hybridization; inorganic chemistry; lit
版次1
doihttps://doi.org/10.1007/978-3-642-93239-7
isbn_softcover978-3-540-12000-1
isbn_ebook978-3-642-93239-7Series ISSN 0342-4901 Series E-ISSN 2192-6603
issn_series 0342-4901
copyrightSpringer-Verlag Berlin Heidelberg 1983
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